Glycoside
GD125401
Name:
2,3,5-trihydroxy-6-({7-methyl-1-oxo-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-4-carbonyloxy}methyl)oxan-4-yl 7-methyl-1-oxo-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-4-carboxylateFormula:
C26H32O12Smiles:
CC1=C2C(=O)OCC(C(=O)OCC3OC(O)C(O)C(OC(=O)C4COC(=O)C5=C(C)CCC54)C3O)C2CC1Aglycone:
CC1=C2C(=O)OCC(C(=O)O)C2CC1.COC(=O)C1COC(=O)C2=C(C)CCC21Sugarmoiety:
OCC1OC(O)C(O)OC1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 175.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD50390
Formula: C10H12O4
Smiles:
CC1=C2C(=O)OCC(C(=O)O)C2CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD50714
Formula: C11H14O4
Smiles:
COC(=O)C1COC(=O)C2=C(C)CCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
